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Chlorine in PDB 8wtr: Human Squalene Synthase in Complex with (1S,3R)-3-[2-Chloro-5-(2,2- Dimethyl-Propyl)-13-(2-Methoxy-Phenyl)-6,8-Dioxo-5,6,7,8,10,11- Hexahydro-13H-12-Oxa-5,9-Diaza-Benzocycloundecen-9-Yl]- Cyclohexanecarboxylic AcidEnzymatic activity of Human Squalene Synthase in Complex with (1S,3R)-3-[2-Chloro-5-(2,2- Dimethyl-Propyl)-13-(2-Methoxy-Phenyl)-6,8-Dioxo-5,6,7,8,10,11- Hexahydro-13H-12-Oxa-5,9-Diaza-Benzocycloundecen-9-Yl]- Cyclohexanecarboxylic Acid
All present enzymatic activity of Human Squalene Synthase in Complex with (1S,3R)-3-[2-Chloro-5-(2,2- Dimethyl-Propyl)-13-(2-Methoxy-Phenyl)-6,8-Dioxo-5,6,7,8,10,11- Hexahydro-13H-12-Oxa-5,9-Diaza-Benzocycloundecen-9-Yl]- Cyclohexanecarboxylic Acid:
2.5.1.21; Protein crystallography data
The structure of Human Squalene Synthase in Complex with (1S,3R)-3-[2-Chloro-5-(2,2- Dimethyl-Propyl)-13-(2-Methoxy-Phenyl)-6,8-Dioxo-5,6,7,8,10,11- Hexahydro-13H-12-Oxa-5,9-Diaza-Benzocycloundecen-9-Yl]- Cyclohexanecarboxylic Acid, PDB code: 8wtr
was solved by
M.Suzuki,
N.Haginoya,
M.Suzuki,
Y.Ishigai,
K.Terayama,
A.Kanda,
K.Sugita,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Human Squalene Synthase in Complex with (1S,3R)-3-[2-Chloro-5-(2,2- Dimethyl-Propyl)-13-(2-Methoxy-Phenyl)-6,8-Dioxo-5,6,7,8,10,11- Hexahydro-13H-12-Oxa-5,9-Diaza-Benzocycloundecen-9-Yl]- Cyclohexanecarboxylic Acid
(pdb code 8wtr). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Squalene Synthase in Complex with (1S,3R)-3-[2-Chloro-5-(2,2- Dimethyl-Propyl)-13-(2-Methoxy-Phenyl)-6,8-Dioxo-5,6,7,8,10,11- Hexahydro-13H-12-Oxa-5,9-Diaza-Benzocycloundecen-9-Yl]- Cyclohexanecarboxylic Acid, PDB code: 8wtr: Chlorine binding site 1 out of 1 in 8wtrGo back to Chlorine Binding Sites List in 8wtr
Chlorine binding site 1 out
of 1 in the Human Squalene Synthase in Complex with (1S,3R)-3-[2-Chloro-5-(2,2- Dimethyl-Propyl)-13-(2-Methoxy-Phenyl)-6,8-Dioxo-5,6,7,8,10,11- Hexahydro-13H-12-Oxa-5,9-Diaza-Benzocycloundecen-9-Yl]- Cyclohexanecarboxylic Acid
Mono view Stereo pair view
Reference:
N.Haginoya,
M.Suzuki,
M.Suzuki,
Y.Ishigai,
K.Terayama,
A.Kanda,
K.Sugita.
Discovery of Novel 11-Membered Templates As Squalene Synthase Inhibitors. J.Med.Chem. V. 67 5305 2024.
Page generated: Tue Jul 30 13:52:27 2024
ISSN: ISSN 0022-2623 PubMed: 38517948 DOI: 10.1021/ACS.JMEDCHEM.3C01500 |
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